(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)-2-phenyl-acetamide CAS Name: (2S)-2-[4-[(4-cyanophenyl)methyl]-1-piperazin-1-iumyl]-N-(3-methoxyphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide Traditional Name: (2S)-2-[4-(4-cyanobenzyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)-2-phenyl-acetamide Formula: C27H29N4O2+ MolecularWeight: 441.54476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H28N4O2/c1-33-25-9-5-8-24(18-25)29-27(32)26(23-6-3-2-4-7-23)31-16-14-30(15-17-31)20-22-12-10-21(19-28)11-13-22/h2-13,18,26H,14-17,20H2,1H3,(H,29,32)/p+1/t26-/m0/s1